One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 7226-23-5, Name is 1,3-Dimethyltetrahydropyrimidin-2(1H)-one, formurla is C6H12N2O. In a document, author is Rankine, Conor D., introducing its new discovery. Recommanded Product: 1,3-Dimethyltetrahydropyrimidin-2(1H)-one.
Ultrafast excited-state dynamics of promising nucleobase ancestor 2,4,6-triaminopyrimidine
The ultrafast excited-state dynamics of 2,4,6-triaminopyrimidine – thought to be a promising candidate for a proto-RNA nucleobase – have been investigated via static multireference quantum-chemical calculations and mixed-quantum-classical/trajectory surface-hopping dynamics with a focus on the lowest-lying electronic states of the singlet manifold and with a view towards understanding the UV(C)/UV(B) photostability of the molecule. Ultrafast internal conversion channels have been identified that connect the lowest-lying pi pi* electronically-excited state of 2,4,6-triaminopyrimidine with the ground electronic state, and non-radiative decay has been observed to take place on the picosecond timescale via a pi pi* out-of-plane NH2 (oop-NH2) minimum-energy crossing point. The short excited-state lifetime is competitive with the excited-state lifetimes of the canonical pyrimidine nucleobases, affirming the promise of 2,4,6-triaminopyrimidine as an ancestor. Evidence for energy-dependent excited-state dynamics is presented, and the open question of intersystem crossing is discussed speculatively.
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Reference:
Pyrimidine | C4H4N2 – PubChem,
,Pyrimidine – Wikipedia